Information card for entry 7128235

Structure parameters

• Formula: C79 H87 Al F36 Mg2 N4 O4
• Calculated formula: C79 H87 Al F36 Mg2 N4 O4
• Title of publication: Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.
• Authors of publication: Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 43
• Pages of publication: 5278 - 5281
• a: 19.6397 ± 0.0003 Å
• b: 21.7453 ± 0.0003 Å
• c: 20.3018 ± 0.0004 Å
• α: 90°
• β: 90.637 ± 0.002°
• γ: 90°
• Cell volume: 8669.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No